SCHEMBL1971970

SCHEMBL1971970

CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N3CCN(c4cccc(O)c4)CC3)nc2s1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 10/20 0.61
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD2 P14416 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
BRD4 O60885 2/20 0.33
DPP4 P27487 1/20 0.33
CYP8B1 Q9UNU6 1/20 0.32
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
PARP3 Q9Y6F1 1/20 0.32
HTR7 P34969 1/20 0.31
OPRM1 P35372 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1965731 0.91 P2RY12 (0.64) P2RY12MEN1KMT2ATP53MAPT
SCHEMBL1974132 0.88 P2RY12 (0.73) P2RY12MEN1KMT2ASMN1; SMN2
SCHEMBL12491713 0.87 P2RY12 (0.70) P2RY12MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL1969002 0.86 P2RY12 (0.69) P2RY12MEN1KMT2AHTTSMN1; SMN2
SCHEMBL1966804 0.86 P2RY12 (0.66) P2RY12MEN1KMT2ATP53MAPT
SCHEMBL1967582 0.85 P2RY12 (0.68) P2RY12MEN1KMT2ATSHR
SCHEMBL1968619 0.85 P2RY12 (0.65) P2RY12MEN1KMT2ACYP8B1
SCHEMBL1969201 0.85 P2RY12 (0.67) P2RY12MEN1KMT2ASMN1; SMN2
SCHEMBL1968085 0.84 P2RY12 (0.67) P2RY12MEN1KMT2AHTTSMN1; SMN2
SCHEMBL1968547 0.84 P2RY12 (0.64) P2RY12MEN1KMT2ADPP4CYP8B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 US disclosed
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 US disclosed
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 US disclosed
EP-2334689-A2 FUSED HETEROCYCLIC COMPOUND LG Life Sciences Ltd. (KR) 2011-06-22 EP disclosed
WO-2010027236-A2 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2010-03-11 WO disclosed
WO-2010027236-A2 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2010-03-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND F2, PF4, F11 P2RY12 127/4885MEN1 849/4885KMT2A 4236/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.